N-[(5R)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-5-phenyl-4H-imidazol-2-yl]-2,2,2-trifluoroacetamide

C22H18F9N3O2 — CID 59904856

About N-[(5R)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-5-phenyl-4H-imidazol-2-yl]-2,2,2-trifluoroacetamide

N-[(5R)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-5-phenyl-4H-imidazol-2-yl]-2,2,2-trifluoroacetamide (PubChem CID 59904856) has the molecular formula C22H18F9N3O2 and a molecular weight of 527.39 g/mol. Its IUPAC name is N-[(5R)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-5-phenyl-4H-imidazol-2-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

• Compound Name: N-[(5R)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-5-phenyl-4H-imidazol-2-yl]-2,2,2-trifluoroacetamide
• PubChem CID: 59904856
• Molecular Formula: C22H18F9N3O2
• Molecular Weight: 527.39 g/mol
• Exact Mass: 527.13
• IUPAC Name: N-[(5R)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-5-phenyl-4H-imidazol-2-yl]-2,2,2-trifluoroacetamide
• SMILES: CN1C[C@@](COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)N=C1NC(=O)C(F)(F)F
• InChI: InChI=1S/C22H18F9N3O2/c1-34-11-19(14-5-3-2-4-6-14,33-18(34)32-17(35)22(29,30)31)12-36-10-13-7-15(20(23,24)25)9-16(8-13)21(26,27)28/h2-9H,10-12H2,1H3,(H,32,33,35)/t19-/m1/s1
• InChIKey: OARFZZCIDMZEMQ-LJQANCHMSA-N
• XLogP: 5.12
• TPSA: 53.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	527.39
LogP ≤ 5	5.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(5R)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-5-phenyl-4H-imidazol-2-yl]-2,2,2-trifluoroacetamide?

The IUPAC name of N-[(5R)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-5-phenyl-4H-imidazol-2-yl]-2,2,2-trifluoroacetamide (CID 59904856) is N-[(5R)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-5-phenyl-4H-imidazol-2-yl]-2,2,2-trifluoroacetamide.

What is the SMILES notation for N-[(5R)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-5-phenyl-4H-imidazol-2-yl]-2,2,2-trifluoroacetamide?

The canonical SMILES for N-[(5R)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-5-phenyl-4H-imidazol-2-yl]-2,2,2-trifluoroacetamide is CN1C[C@@](COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)N=C1NC(=O)C(F)(F)F.

What is the InChIKey of N-[(5R)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-5-phenyl-4H-imidazol-2-yl]-2,2,2-trifluoroacetamide?

The InChIKey is OARFZZCIDMZEMQ-LJQANCHMSA-N. The full InChI is InChI=1S/C22H18F9N3O2/c1-34-11-19(14-5-3-2-4-6-14,33-18(34)32-17(35)22(29,30)31)12-36-10-13-7-15(20(23,24)25)9-16(8-13)21(26,27)28/h2-9H,10-12H2,1H3,(H,32,33,35)/t19-/m1/s1.

What are the key properties of N-[(5R)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-5-phenyl-4H-imidazol-2-yl]-2,2,2-trifluoroacetamide?

N-[(5R)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-5-phenyl-4H-imidazol-2-yl]-2,2,2-trifluoroacetamide has a molecular weight of 527.39 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5R)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-5-phenyl-4H-imidazol-2-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 59904856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).